1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea

C18H20F2N2O2 — CID 78011927

IUPAC1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea
SMILESCCOC(C)c1ccc(NC(=O)Nc2ccc(F)c(C)c2)c(F)c1
InChIInChI=1S/C18H20F2N2O2/c1-4-24-12(3)13-5-8-17(16(20)10-13)22-18(23)21-14-6-7-15(19)11(2)9-14/h5-10,12H,4H2,1-3H3,(H2,21,22,23)
InChIKeyKXLRRAJGQNPLDX-UHFFFAOYSA-N
MW334.37 g/mol
LogP5.01
Rot. Bonds5

About 1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea

1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea (PubChem CID 78011927) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea
PubChem CID78011927
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea
SMILESCCOC(C)c1ccc(NC(=O)Nc2ccc(F)c(C)c2)c(F)c1
InChIInChI=1S/C18H20F2N2O2/c1-4-24-12(3)13-5-8-17(16(20)10-13)22-18(23)21-14-6-7-15(19)11(2)9-14/h5-10,12H,4H2,1-3H3,(H2,21,22,23)
InChIKeyKXLRRAJGQNPLDX-UHFFFAOYSA-N
XLogP5.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
CID 62813455
N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115140347
(3S)-3-[4-[(1R)-1-ethoxyethyl]-3-[(4-methylphenyl)carbamoylamino]phenyl]pentanoic acid
CID 146430882
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
2-bromo-N-(4-fluoro-3-methylphenyl)butanamide
CID 62856020
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
2-ethyl-2-[(4-fluoro-3-methylphenyl)carbamoylamino]butanoic acid
CID 79803594
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79801294
6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea?
The IUPAC name of 1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea (CID 78011927) is 1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea?
The canonical SMILES for 1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea is CCOC(C)c1ccc(NC(=O)Nc2ccc(F)c(C)c2)c(F)c1.
What is the InChIKey of 1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea?
The InChIKey is KXLRRAJGQNPLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-4-24-12(3)13-5-8-17(16(20)10-13)22-18(23)21-14-6-7-15(19)11(2)9-14/h5-10,12H,4H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea?
1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea has a molecular weight of 334.37 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethoxyethyl)-2-fluorophenyl]-3-(4-fluoro-3-methylphenyl)urea is sourced from PubChem (CID 78011927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).